N-[1-(4-methylbenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

C23H33N3O2 — CID 118789924

IUPACN-[1-(4-methylbenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)C3(N4CCCC4)CCCC3)CC2)cc1
InChIInChI=1S/C23H33N3O2/c1-18-6-8-19(9-7-18)21(27)25-16-10-20(11-17-25)24-22(28)23(12-2-3-13-23)26-14-4-5-15-26/h6-9,20H,2-5,10-17H2,1H3,(H,24,28)
InChIKeyGFNWRVVYNDAXIR-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.12
Rot. Bonds4

About N-[1-(4-methylbenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

N-[1-(4-methylbenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (PubChem CID 118789924) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-[1-(4-methylbenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylbenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
PubChem CID118789924
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC NameN-[1-(4-methylbenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)C3(N4CCCC4)CCCC3)CC2)cc1
InChIInChI=1S/C23H33N3O2/c1-18-6-8-19(9-7-18)21(27)25-16-10-20(11-17-25)24-22(28)23(12-2-3-13-23)26-14-4-5-15-26/h6-9,20H,2-5,10-17H2,1H3,(H,24,28)
InChIKeyGFNWRVVYNDAXIR-UHFFFAOYSA-N
XLogP3.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119315736
N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820327
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673425
1-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122000335
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156
3,4,5-trihydroxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108551461
N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558531
2-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119183943
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
N-cyclohexyl-1-piperidin-1-ylcyclopropane-1-carboxamide
CID 69234976

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylbenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[1-(4-methylbenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (CID 118789924) is N-[1-(4-methylbenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(4-methylbenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(4-methylbenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is Cc1ccc(C(=O)N2CCC(NC(=O)C3(N4CCCC4)CCCC3)CC2)cc1.
What is the InChIKey of N-[1-(4-methylbenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The InChIKey is GFNWRVVYNDAXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-18-6-8-19(9-7-18)21(27)25-16-10-20(11-17-25)24-22(28)23(12-2-3-13-23)26-14-4-5-15-26/h6-9,20H,2-5,10-17H2,1H3,(H,24,28).
What are the key properties of N-[1-(4-methylbenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
N-[1-(4-methylbenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylbenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 118789924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).